Saida Junji, Itoh Keiji, Sato Shigeo, Imafuku Muneyuki, Sanada Takashi, Inoue Akihisa
Center for Interdisciplinary Research, Tohoku University, 6-3 Aoba, Aramaki, Aoba-ku, Sendai 980-8578, Japan.
J Phys Condens Matter. 2009 Sep 16;21(37):375104. doi: 10.1088/0953-8984/21/37/375104. Epub 2009 Aug 11.
The local atomic structure of nano-quasicrystal-forming Zr(80)Pt(20) binary glassy alloy was investigated by reverse Monte Carlo modeling based on the results of x-ray diffraction. A prepeak at Q∼17 nm(-1) originating from the unique bonding between the Pt-Pt pair is observed in the structure factor. Voronoi analysis indicates that an icosahedral-like polyhedron is formed around Pt. It is also found that icosahedral-like polyhedra exist around Zr; however, the fraction of perfect icosahedra is considerably lower than that in the nano-quasicrystalforming Zr(70)Pd(30) glassy alloy. A difference in the local environment between the two binary quasicrystal-forming glassy alloys is suggested.
基于X射线衍射结果,通过反向蒙特卡洛模拟研究了形成纳米准晶体的Zr(80)Pt(20)二元玻璃合金的局部原子结构。在结构因子中观察到一个位于Q∼17 nm⁻¹处的预峰,它源于Pt-Pt对之间独特的键合。Voronoi分析表明,在Pt周围形成了一个类似二十面体的多面体。还发现Zr周围也存在类似二十面体的多面体;然而,完美二十面体的比例远低于形成纳米准晶体的Zr(70)Pd(30)玻璃合金。这表明两种形成二元准晶体的玻璃合金在局部环境上存在差异。